MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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phloretin

	Properties	Image
MNX_ID	MNXM3336
reference	chebi:17276
formula	C₁₅H₁₄O₅
global charge	0
mol weight	274.272
InChIKey	VGEREEWJJVICBM-UHFFFAOYSA-N
InChI	InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
SMILES	O=C(CCC1=CC=C(O)C=C1)C1=C(O)C=C(O)C=C1O

MNX internals

InChI (mnx)	InChI=1/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
SMILES (mnx)	[CH:1]1=[CH:4][C:10]([OH:16])=[CH:5][CH:2]=[C:9]1[CH2:3][CH2:6][C:12]([C:15]1=[C:13]([OH:19])[CH:7]=[C:11]([OH:17])[CH:8]=[C:14]1[OH:20])=[O:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17276 chebi:17276 VGEREEWJJVICBM-UHFFFAOYSA-N	phloretin 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one Phloretin
sabiork.compound:5229 sabiorkM:5229 lipidmaps:LMPK12120525 lipidmapsM:LMPK12120525 VGEREEWJJVICBM-UHFFFAOYSA-N	Phloretin
hmdb:HMDB0003306 VGEREEWJJVICBM-UHFFFAOYSA-N	Phloretin 2,6-Dihydroxy-4-methoxyacetophenone 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one 4-O-Methylphloracetophenone Dihydronaringenin Phloretol phloretin
kegg.compound:C00774 keggC:C00774 VGEREEWJJVICBM-UHFFFAOYSA-N	Phloretin 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
seed.compound:cpd00576 seedM:cpd00576 VGEREEWJJVICBM-UHFFFAOYSA-N	Phloretin phloretin
metacyc.compound:PHLORETIN metacycM:PHLORETIN VGEREEWJJVICBM-UHFFFAOYSA-N	phloretin
hmdb:HMDB03306 chebi:14787 chebi:26014 chebi:42649 chebi:8111 keggC:M_C00774 seedM:M_cpd00576	secondary/obsolete/fantasy identifier